Chemical Properties of 1H-Pyrrole, 1-methyl- (CAS 96-54-8)

1H-Pyrrole, 1-methyl-

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InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChI Key
OXHNLMTVIGZXSG-UHFFFAOYSA-N
Formula
C5H7N
SMILES
Cn1cccc1
Molecular Weight1
81.12
CAS
96-54-8
Other Names
  • 1-METHYL PYRROLE
  • 1-Methyl-1H-pyrrole
  • 1-Methylpyrrol
  • 1-Methylpyrrole
  • N-Methylpyrrol
  • N-Methylpyrrole
  • Pyrrole, 1-methyl-
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Physical Properties

Property Value Unit Source
ω 0.3110 KDB
Δcliquid -3030.30 ± 0.42 kJ/mol NIST
Δfgas 103.10 ± 0.54 kJ/mol NIST
Δfliquid 62.38 ± 0.50 kJ/mol NIST
Δvap [40.70; 44.60] kJ/mol Show Hide
Δvap 44.60 ± 0.02 kJ/mol NIST
Δvap 40.80 ± 0.20 kJ/mol NIST
Δvap 40.70 kJ/mol NIST
IE [7.94; 8.40] eV Show Hide
IE 7.99 ± 0.07 eV NIST
IE 7.94 ± 0.02 eV NIST
IE 8.40 eV NIST
IE 8.09 ± 0.01 eV NIST
IE 7.95 ± 0.05 eV NIST
log10WS -2.76 Crippen Calculated Property
logPoct/wat 1.025 Crippen Calculated Property
McVol 71.830 ml/mol McGowan Calculated Property
Pc 4850.00 kPa KDB
Inp [695.00; 769.00]   Show Hide
Inp 731.00 NIST
Inp 731.00 NIST
Inp 710.00 NIST
Inp 702.00 NIST
Inp Outlier 695.00 NIST
Inp 739.00 NIST
Inp 725.00 NIST
Inp 710.00 NIST
Inp 717.00 NIST
Inp 719.00 NIST
Inp 730.00 NIST
Inp 743.00 NIST
Inp 750.00 NIST
Inp 741.00 NIST
Inp 749.00 NIST
Inp Outlier 769.00 NIST
Inp 716.00 NIST
Inp 722.00 NIST
Inp 760.00 NIST
Inp 751.00 NIST
Inp 737.00 NIST
Inp 750.00 NIST
Inp 740.00 NIST
Inp 741.00 NIST
Inp 742.00 NIST
Inp 736.00 NIST
Inp 743.00 NIST
Inp 740.00 NIST
Inp 747.00 NIST
Inp 750.00 NIST
Inp 750.00 NIST
Inp 731.00 NIST
Inp 715.00 NIST
Inp 735.00 NIST
Inp 740.00 NIST
Inp 738.00 NIST
Inp 737.00 NIST
Inp 722.00 NIST
Inp 743.00 NIST
Inp 744.00 NIST
Inp 722.00 NIST
Inp 715.00 NIST
Inp 715.00 NIST
Inp 717.00 NIST
Inp 715.00 NIST
Inp 717.00 NIST
I [1127.00; 1195.00]   Show Hide
I 1171.00 NIST
I 1170.00 NIST
I 1180.00 NIST
I 1166.00 NIST
I 1160.00 NIST
I Outlier 1195.00 NIST
I 1154.00 NIST
I 1148.00 NIST
I 1140.00 NIST
I 1149.00 NIST
I 1134.00 NIST
I 1155.00 NIST
I 1137.00 NIST
I 1142.00 NIST
I 1153.00 NIST
I 1129.00 NIST
I 1157.00 NIST
I 1145.00 NIST
I 1168.00 NIST
I 1157.00 NIST
I 1149.00 NIST
I 1149.00 NIST
I 1149.00 NIST
I 1127.00 NIST
I 1180.00 NIST
I 1140.00 NIST
I 1147.00 NIST
I 1139.00 NIST
I 1139.00 NIST
I 1139.00 NIST
I 1132.00 NIST
I 1134.00 NIST
I 1144.00 NIST
I 1139.00 NIST
I 1142.00 NIST
I 1139.00 NIST
liquid [200.48; 200.52] J/mol×K Show Hide
liquid 200.52 J/mol×K NIST
liquid 200.48 J/mol×K NIST
liquid 200.48 J/mol×K NIST
Tboil 385.80 K KDB
Tc [596.00; 597.00] K Show Hide
Tc 596.00 K KDB
Tc 597.00 K Thermod...
Tfus [216.82; 322.11] K Show Hide
Tfus 322.11 K KDB
Tfus 216.91 K NIST
Tfus 216.82 ± 0.08 K NIST
Tfus 231.20 ± 0.50 K NIST
Ttriple [216.87; 216.91] K Show Hide
Ttriple 216.91 ± 0.03 K NIST
Ttriple 216.91 ± 0.02 K NIST
Ttriple 216.87 ± 0.01 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [150.06; 150.06] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 150.06 J/mol×K 298.15 NIST
Cp,liquid 150.06 J/mol×K 298.15 NIST
Cp,liquid 150.06 J/mol×K 298.15 NIST
ΔfusH [7.82; 7.82] kJ/mol [216.90; 216.91] Show Hide
ΔfusH 7.82 kJ/mol 216.90 NIST
ΔfusH 7.82 kJ/mol 216.90 NIST
ΔfusH 7.82 kJ/mol 216.91 NIST
ΔfusH 7.82 kJ/mol 216.91 NIST
ΔvapH [38.00; 39.00] kJ/mol [353.00; 372.00] Show Hide
ΔvapH 38.00 kJ/mol 353.00 NIST
ΔvapH 39.00 kJ/mol 372.00 NIST
ΔfusS 36.07 J/mol×K 216.91 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [283.27; 411.86] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40817e+01
Coefficient B-3.09648e+03
Coefficient C-5.87940e+01
Temperature range, min.283.27
Temperature range, max.411.86
Pvap 1.33 kPa 283.27 Calculated Property
Pvap 3.04 kPa 297.56 Calculated Property
Pvap 6.33 kPa 311.85 Calculated Property
Pvap 12.17 kPa 326.13 Calculated Property
Pvap 21.91 kPa 340.42 Calculated Property
Pvap 37.25 kPa 354.71 Calculated Property
Pvap 60.32 kPa 369.00 Calculated Property
Pvap 93.61 kPa 383.28 Calculated Property
Pvap 139.99 kPa 397.57 Calculated Property
Pvap 202.65 kPa 411.86 Calculated Property
Pvap [4.07e-03; 4753.96] kPa [216.91; 610.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.94030e+01
Coefficient B-7.46125e+03
Coefficient C-9.43097e+00
Coefficient D4.78467e-06
Temperature range, min.216.91
Temperature range, max.610.00
Pvap 4.07e-03 kPa 216.91 Calculated Property
Pvap 0.25 kPa 260.59 Calculated Property
Pvap 4.05 kPa 304.26 Calculated Property
Pvap 28.44 kPa 347.94 Calculated Property
Pvap 118.97 kPa 391.62 Calculated Property
Pvap 352.89 kPa 435.29 Calculated Property
Pvap 827.56 kPa 478.97 Calculated Property
Pvap 1646.79 kPa 522.65 Calculated Property
Pvap 2916.77 kPa 566.32 Calculated Property
Pvap 4753.96 kPa 610.00 Calculated Property

Similar Compounds

1H-Pyrrole, 1-ethyl-. 1-Methyl-4(1H)-pyridinone. 1-[1(1H)-pyrrolyl]-2-propanone. 2(1H)-Pyridinethione, 1-methyl-. 2(1H)-Pyridinone, 1-methyl-. N-(2-Cyanoethyl)-pyrrole. 2-(1-pyrrolyl)-1-ethanol. 1-methyl-1H-pyrrole-2-acetonitrile. 4(1H)-Pyridinethione,1-methyl-. N-(2-mercaptoethyl)pyrrole. 1H-Pyrrole, 1-propyl-. N-isobutylpyrrole. 3-Formyl-1-methylpyrrole. 1H-Pyrrole, 1,2-dimethyl. 1H-Pyrrole, 1-butyl-.

Find more compounds similar to 1H-Pyrrole, 1-methyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.